论文标题
高压金属CSPBI3中的剖腹电子传递和电子电子相互作用
Cesium-involved electron transfer and electron-electron interaction in high-pressure metallic CsPbI3
论文作者
论文摘要
据信电子 - 音波耦合可以控制卤化物钙钛矿和相关阶段的载体运输。在这里,我们证明了电子电子相互作用在压缩CSPBI3的低温电运输中起着直接而突出的作用,并使费米液体(FL)类似于行为。通过将δ-CSPBI3压缩到80 GPA,发生绝缘体到金属的转变,与从一维(1D)PNMA(δ)相结合的结构过渡完成,再到3D PMN21(ε)相。进入金属ε相后,在CSPBI3中观察到与FL行为的偏差,该ε相在186 GPa时逐渐发展为FL状态。第一原理密度功能理论计算表明,增强的电子电子耦合与CS涉及的电子转移和高压ε相5D状态占用的突然增加有关。我们的研究提出了一种有前途的策略,用于调整卤化物钙钛矿中的电子相互作用,以实现有趣的电子状态。
Electron-phonon coupling was believed to govern the carrier transport in halide perovskites and related phases. Here we demonstrate that electron-electron interaction plays a direct and prominent role in the low-temperature electrical transport of compressed CsPbI3 and renders Fermi liquid (FL)-like behavior. By compressing δ-CsPbI3 to 80 GPa, an insulator-to-metal transition occurs, concomitant with the completion of a sluggish structural transition from the one-dimensional (1D) Pnma (δ) phase to a 3D Pmn21 (ε) phase. Deviation from FL behavior is observed in CsPbI3 upon entering the metallic ε phase, which progressively evolves into a FL-like state at 186 GPa. First-principles density functional theory calculations reveal that the enhanced electron-electron coupling is related to the Cs-involved electron transfer and sudden increase of the 5d state occupation of the high-pressure ε phase. Our study presents a promising strategy for tuning the electronic interaction in halide perovskites for realizing intriguing electronic states.